1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine

C11H18N2 — CID 89209241

IUPAC1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine
SMILESC=C(NC)N(C)C1=C(C)C=CCC1
InChIInChI=1S/C11H18N2/c1-9-7-5-6-8-11(9)13(4)10(2)12-3/h5,7,12H,2,6,8H2,1,3-4H3
InChIKeyNOIOFILDQMDKHG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.23
Rot. Bonds3

About 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine

1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine (PubChem CID 89209241) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine
PubChem CID89209241
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine
SMILESC=C(NC)N(C)C1=C(C)C=CCC1
InChIInChI=1S/C11H18N2/c1-9-7-5-6-8-11(9)13(4)10(2)12-3/h5,7,12H,2,6,8H2,1,3-4H3
InChIKeyNOIOFILDQMDKHG-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine (CID 89209241) is 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine is C=C(NC)N(C)C1=C(C)C=CCC1.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine?
The InChIKey is NOIOFILDQMDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-5-6-8-11(9)13(4)10(2)12-3/h5,7,12H,2,6,8H2,1,3-4H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine?
1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethene-1,1-diamine is sourced from PubChem (CID 89209241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).